General Information of the Compound
| Compound ID |
CP0425147
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| Compound Name |
[(3S)-3-(2-aminoquinolin-8-yl)oxypyrrolidin-1-yl]-(1,3-benzodioxol-5-yl)methanone
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| Structure |
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| Formula |
C21H19N3O4
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| Molecular Weight |
377.4
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| Canonical SMILES |
Nc1ccc2cccc(O[C@H]3CCN(C3)C(=O)c3ccc4OCOc4c3)c2n1
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| InChI |
InChI=1S/C21H19N3O4/c22-19-7-5-13-2-1-3-17(20(13)23-19)28-15-8-9-24(11-15)21(25)14-4-6-16-18(10-14)27-12-26-16/h1-7,10,15H,8-9,11-12H2,(H2,22,23)/t15-/m0/s1
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| InChIKey |
MTMCNRBAEVKVEQ-HNNXBMFYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound